(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol

C26H42O4Si2 — CID 102411113

IUPAC(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C2C#C/C=C/COCC#CC[C@@]2(O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H42O4Si2/c1-24(2,3)31(7,8)29-22-20-21-16-12-11-14-18-28-19-15-13-17-26(21,27)23(22)30-32(9,10)25(4,5)6/h11,14,20,22-23,27H,17-19H2,1-10H3/b14-11+/t22-,23+,26+/m1/s1
InChIKeyKLHPKEBFSMAPRV-MGLYLBQASA-N
MW474.79 g/mol
LogP5.42
Rot. Bonds4

About (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol

(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol (PubChem CID 102411113) has the molecular formula C26H42O4Si2 and a molecular weight of 474.79 g/mol. Its IUPAC name is (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol.

Molecular Properties

Compound Name(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
PubChem CID102411113
Molecular FormulaC26H42O4Si2
Molecular Weight474.79 g/mol
Exact Mass474.26
IUPAC Name(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C2C#C/C=C/COCC#CC[C@@]2(O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H42O4Si2/c1-24(2,3)31(7,8)29-22-20-21-16-12-11-14-18-28-19-15-13-17-26(21,27)23(22)30-32(9,10)25(4,5)6/h11,14,20,22-23,27H,17-19H2,1-10H3/b14-11+/t22-,23+,26+/m1/s1
InChIKeyKLHPKEBFSMAPRV-MGLYLBQASA-N
XLogP5.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.79
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol with MolForge

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Related Compounds

[(8Z,14R,15S)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-15-yl]oxy-tert-butyl-dimethylsilane
CID 134885267
[(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 10897010
(4R,5S)-1-(4-bromobut-2-ynyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-hydroxy-3-methylpent-3-en-1-ynyl]cyclopent-2-en-1-ol
CID 11050057
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 72957418
(1RS,4RS)-4-hydroxy-4-(3-trimethylsilyl-2-propynyl)-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 86754280
(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
CID 139616238
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-1-prop-2-ynylcyclopent-2-en-1-ol
CID 139616242
(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
CID 139616250
(1S,2R,6Z)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-12a-trimethylsilyloxy-4,5,10,11-tetradehydro-2,8,9,12-tetrahydro-1H-cyclopenta[11]annulen-9-ol
CID 139616252
(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
CID 139616253
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 11016297
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 11427375

Frequently Asked Questions

What is the IUPAC name of (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol?
The IUPAC name of (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol (CID 102411113) is (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol.
What is the SMILES notation for (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol?
The canonical SMILES for (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1C=C2C#C/C=C/COCC#CC[C@@]2(O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol?
The InChIKey is KLHPKEBFSMAPRV-MGLYLBQASA-N. The full InChI is InChI=1S/C26H42O4Si2/c1-24(2,3)31(7,8)29-22-20-21-16-12-11-14-18-28-19-15-13-17-26(21,27)23(22)30-32(9,10)25(4,5)6/h11,14,20,22-23,27H,17-19H2,1-10H3/b14-11+/t22-,23+,26+/m1/s1.
What are the key properties of (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol?
(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol has a molecular weight of 474.79 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol is sourced from PubChem (CID 102411113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).